D541-0021 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide

D541-0021 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide
D541-0021 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D541-0021
(2E)-3-(3,4-dimethoxyphenyl)-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D541-0021

Molecular Formula

C18H17N5O3 (C18 H17 N5 O3)

Compound Name

(2E)-3-(3,4-dimethoxyphenyl)-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide

IUPAC name

(2E)-3-(34-dimethoxyphenyl)-N-[4-(1H-1234-tetrazol-1-yl)phenyl]prop-2-enamide

SMILES

COc(ccc(/C=C/C(Nc(cc1)ccc1-n1nnnc1)=O)c1)c1OC

InChI

InChI=1S/C18H17N5O3/c1-25-16-9-3-13(11-17(16)26-2)4-10-18(24)20-14-5-7-15(8-6-14)23-12-19-21-22-23/h3-12H,1-2H3,(H,20,24)

InChI Key

LRTSYEAVYQXNDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07812015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.662

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-3.38

Polar Surface Area

78.142

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D541-0021 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D541-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D541-0021?
Check Price and Availability of D541-0021, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D541-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D541-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D541-0021
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D541-0021 available by request